2-(2-methylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide

C15H22N2OS — CID 4818601

IUPAC2-(2-methylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN1CCCCC1C
InChIInChI=1S/C15H22N2OS/c1-12-7-5-6-10-17(12)11-15(18)16-13-8-3-4-9-14(13)19-2/h3-4,8-9,12H,5-7,10-11H2,1-2H3,(H,16,18)
InChIKeyQWSUTINWEVEFOI-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.22
Rot. Bonds4

About 2-(2-methylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide

2-(2-methylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 4818601) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-(2-methylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-methylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide
PubChem CID4818601
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-(2-methylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN1CCCCC1C
InChIInChI=1S/C15H22N2OS/c1-12-7-5-6-10-17(12)11-15(18)16-13-8-3-4-9-14(13)19-2/h3-4,8-9,12H,5-7,10-11H2,1-2H3,(H,16,18)
InChIKeyQWSUTINWEVEFOI-UHFFFAOYSA-N
XLogP3.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(2-methylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide (CID 4818601) is 2-(2-methylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(2-methylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(2-methylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CN1CCCCC1C.
What is the InChIKey of 2-(2-methylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is QWSUTINWEVEFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-12-7-5-6-10-17(12)11-15(18)16-13-8-3-4-9-14(13)19-2/h3-4,8-9,12H,5-7,10-11H2,1-2H3,(H,16,18).
What are the key properties of 2-(2-methylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide?
2-(2-methylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 278.42 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 4818601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).